Molecule

ID:8221

General Information
Structure
MolImage
Molecular Formula
C₂H₄F₃N
Molecular Mass
99.0550696
Exact Mass
99.02958379
Charge
0
InChI
InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2
InChIKey
KIPSRYDSZQRPEA-UHFFFAOYSA-N
Canonic Smiles
NCC(F)(F)F
Isomeric Smiles
FC(F)(F)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.1359752
LogD (pH = 7.4)
0.3265743
Log P
0.32963738
Molar Refractivity
15.3689
Polarizability
5.685623
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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